(3aR,3bS,3a'R,3b'S,5aR,5a'R,6R,6'R,9aR,9bR,9a'R,9b'R,11R,11aR,11'R,11a'R)-2,2'-(hexane-1,6-diyl)bis(12-isopropyl-6,9a-dimethyl-1,3-dioxo-1,2,3,3a,4,5,5a,6,7,8,9,9a,9b,10,11,11a-hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylic acid) | 1240569-21-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (3aR,3bS,3a'R,3b'S,5aR,5a'R,6R,6'R,9aR,9bR,9a'R,9b'R,11R,11aR,11'R,11a'R)-2,2'-(hexane-1,6-diyl)bis(12-isopropyl-6,9a-dimethyl-1,3-dioxo-1,2,3,3a,4,5,5a,6,7,8,9,9a,9b,10,11,11a-hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylic acid)
• CAS: 1240569-21-4
• 化学式: C₅₄H₇₆N₂O₈
• 分子量: 881.206
• InChiKey: LKPDFWCWGDXFBU-VBSRDVHASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.57
• 重原子数：
  64.0
• 可旋转键数：
  11.0
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  149.36
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (3aR,3bS,3a'R,3b'S,5aR,5a'R,6R,6'R,9aR,9bR,9a'R,9b'R,11R,11aR,11'R,11a'R)-2,2'-(hexane-1,6-diyl)bis(12-isopropyl-6,9a-dimethyl-1,3-dioxo-1,2,3,3a,4,5,5a,6,7,8,9,9a,9b,10,11,11a-hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylic acid) 、 3-溴丙烯 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以82%的产率得到
  参考文献：
  名称：

  Synthesis, film-forming, and light-sensitivity properties of allyl and propargyl maleopimarates and cytraconopimarates

  摘要：

  Previously unknown allyl and propargyl esters of maleopimaric and citraconopimaric acids were synthesized. The film-forming and light-sensitivity properties of these compounds were studierd.

  DOI：

  10.1134/s1070363210050130
• 作为产物：
  描述：

  1,6-己二胺 、 maleopimaric acid 以 邻二氯苯 为溶剂， 反应 6.0h， 以50.6%的产率得到(3aR,3bS,3a'R,3b'S,5aR,5a'R,6R,6'R,9aR,9bR,9a'R,9b'R,11R,11aR,11'R,11a'R)-2,2'-(hexane-1,6-diyl)bis(12-isopropyl-6,9a-dimethyl-1,3-dioxo-1,2,3,3a,4,5,5a,6,7,8,9,9a,9b,10,11,11a-hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylic acid)
  参考文献：
  名称：

  Synthesis, film-forming, and light-sensitivity properties of allyl and propargyl maleopimarates and cytraconopimarates

  摘要：

  Previously unknown allyl and propargyl esters of maleopimaric and citraconopimaric acids were synthesized. The film-forming and light-sensitivity properties of these compounds were studierd.

  DOI：

  10.1134/s1070363210050130